General Information of the Compound
| Compound ID |
CP0491422
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| Compound Name |
N'-(4-chloro-3-fluorophenyl)-N-[(1R,2R,3S)-2-[(diaminomethylideneamino)methyl]-3-(3-hydroxypropyl)-6-(methylaminomethyl)-2,3-dihydro-1H-inden-1-yl]oxamide;2,2,2-trifluoroacetic acid
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| Formula |
C28H32ClF7N6O7
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| Molecular Weight |
733.038
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1ccc2[C@@H](CCCO)[C@H](CNC(N)=N)[C@@H](NC(=O)C(=O)Nc3ccc(Cl)c(F)c3)c2c1
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| InChI |
InChI=1S/C24H30ClFN6O3.2C2HF3O2/c1-29-11-13-4-6-16-15(3-2-8-33)18(12-30-24(27)28)21(17(16)9-13)32-23(35)22(34)31-14-5-7-19(25)20(26)10-14;2*3-2(4,5)1(6)7/h4-7,9-10,15,18,21,29,33H,2-3,8,11-12H2,1H3,(H,31,34)(H,32,35)(H4,27,28,30);2*(H,6,7)/t15-,18+,21+;;/m1../s1
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| InChIKey |
USIYFONAAMDITK-NHSWWBFWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound